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1-Chloro-4-isoquinolinol

1-Chloro-4-isoquinolinol structure

CAS No:
3336-43-4
Formula:
C9H6ClNO
Chemical Name:
1-Chloro-4-isoquinolinol
Synonyms:
4-Isoquinolinol,1-chloro-;1-Chloro-4-isoquinolinol;1-Chloroisoquinolin-4-ol;1-Chloro-4-hydroxyisoquinoline
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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1-Chloro-4-isoquinolinol Basic Attributes

Molecular Weight：

179.605

Exact Mass：

179.60

DSSTox ID：

DTXSID20401535

HScode：

2933499090

Characteristics

PSA：

33.1

XLogP3：

2.7

Density：

1.412

Melting Point：

193.5-194 °C (decomp)

Boiling Point：

454.8°C at 760 mmHg

Flash Point：

228.9ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:179.60
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:179.0137915
Monoisotopic Mass:179.0137915
Topological Polar Surface Area:33.1
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes